| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 25 | Yes |
Popular Name: 6-(1H-imidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]nicotinamide 6-(1H-imidazol-1-yl)-N-[4-(trifl…
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CAS Number: 400080-30-0
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.66 | 2.04 | -11.94 | 1 | 6 | 0 | 69 | 348.284 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 2.32 | -43.2 | 2 | 6 | 1 | 70 | 349.292 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 210 - 212 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
